Geometry & MOs

Info

ID:	261882
PubChem CID:	103256684
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	235.095691
ΔH_f, kcal/mol:	-97.05
Dipole, Da:	6.28
IP(EA), eV:	-9.12(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(1-methylpyrazol-3-yl)amino]ethyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CNC2CCCC2(C)C)C(=O)O

DOS

IR

Vibrations